%chk=000054269.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054269

0 1
 Cl   4.836400      -1.014900     -0.7318000    
 S   0.9126000     -0.3600000       1.180400    
 O  -0.4434000       2.529900     -0.7276000    
 O   -1.854900       2.153800       1.048500    
 O   -2.958500      -1.851700      -1.410400    
 N   -2.235700     -0.4867000      0.3316000    
 C    2.442500      -1.179200      0.6795000    
 C   -1.297500      0.3126000     -0.4181000    
 C   8.9100003E-02 -0.3362000     -0.4460000    
 C    3.277300     -0.2711000     -0.2488000    
 C    2.102000      -2.554900      0.1074000    
 C    3.564600       1.091500      0.3779000    
 C   -1.240000       1.757800      6.3600004E-02
 C   -2.988200      -1.504300     -0.2328000    
 C   -3.866900      -2.193200      0.7766000    
 C  -0.3392000       3.906700     -0.3501000    
 H    3.008800      -1.340700       1.605200    
 H   -1.676300      0.3564000      -1.447900    
 H   0.7082000      0.2168000      -1.156000    
 H  -2.8400000E-02  -1.357900     -0.8162000    
 H    2.766300     -0.1165000      -1.202200    
 H    1.758800      -2.506900     -0.9306000    
 H    2.999400      -3.184600      0.1001000    
 H    1.357000      -3.088000      0.7088000    
 H    4.242700       1.675400     -0.2558000    
 H    4.038200      0.9877000       1.360400    
 H    2.661400       1.698000      0.4930000    
 H   -2.325500     -0.3027000       1.326900    
 H   -4.594900      -2.825200      0.2605000    
 H   -3.250200      -2.814500       1.431800    
 H   -4.407600      -1.455500       1.376400    
 H   -1.322600       4.385000     -0.3859000    
 H   0.3203000       4.405800      -1.065000    
 H   9.7499996E-02   3.992400      0.6494000    


%chk=000054269-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054269

0 1
Cl 4.703497 0.426756 -0.550928
S 0.699206 -1.278815 0.917638
O -0.035999 1.903312 -1.117101
O -1.250813 2.059811 0.863819
O -3.281791 -2.025311 -0.882060
N -2.362903 -0.407887 0.496667
C 2.541606 -1.166443 0.353330
C -1.396501 0.013075 -0.520783
C -0.236614 -0.996831 -0.710890
C 2.885901 0.315328 0.126672
C 2.825730 -2.113597 -0.823087
C 2.846192 1.196594 1.377638
C -0.906496 1.415826 -0.153451
C -3.273204 -1.417696 0.234883
C -4.240252 -1.750978 1.363451
C 0.467332 3.285867 -0.895972
H 3.065105 -1.525553 1.259135
H -1.916352 0.067649 -1.500351
H 0.464762 -0.615703 -1.468553
H -0.661066 -1.956555 -1.041686
H 2.297880 0.737556 -0.705231
H 2.330324 -1.780244 -1.752540
H 3.910362 -2.151248 -1.022610
H 2.470334 -3.130171 -0.584266
H 3.158909 2.227031 1.139261
H 3.527639 0.802137 2.151633
H 1.821820 1.216082 1.791310
H -2.384027 0.131232 1.366730
H -5.272975 -1.702759 0.978530
H -4.063518 -2.789054 1.695118
H -4.146590 -1.079276 2.233584
H -0.376658 3.994900 -0.898477
H 1.147110 3.473002 -1.738142
H 0.995350 3.347064 0.069527


